Geometry & MOs

Info

ID:	39849
PubChem CID:	8142566
Reduced:	OC6H9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	-205.65
Dipole, Da:	3.03
IP(EA), eV:	-8.96(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC(=O)OC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCCC

DOS

IR

Vibrations